2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C24H22FN3OS — CID 24952222

About 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 24952222) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 24952222
• Molecular Formula: C24H22FN3OS
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.15
• IUPAC Name: 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C2=CC(CCc3ccc(F)cc3)C=C2)sc1C(=O)NCc1cccnc1
• InChI: InChI=1S/C24H22FN3OS/c1-16-22(23(29)27-15-19-3-2-12-26-14-19)30-24(28-16)20-9-6-18(13-20)5-4-17-7-10-21(25)11-8-17/h2-3,6-14,18H,4-5,15H2,1H3,(H,27,29)
• InChIKey: PDSGIFQTIGNRHX-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 24952222) is 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C2=CC(CCc3ccc(F)cc3)C=C2)sc1C(=O)NCc1cccnc1.

What is the InChIKey of 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is PDSGIFQTIGNRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3OS/c1-16-22(23(29)27-15-19-3-2-12-26-14-19)30-24(28-16)20-9-6-18(13-20)5-4-17-7-10-21(25)11-8-17/h2-3,6-14,18H,4-5,15H2,1H3,(H,27,29).

What are the key properties of 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24952222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).